Geometry & MOs

Info

ID:	35182
PubChem CID:	7979437
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-133.27
Dipole, Da:	6.42
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylanilino)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)COC2=C(C=C(C(=C2)C)Cl)C(C)C

DOS

IR

Vibrations